2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate

C14H17NO3 — CID 141096762

IUPAC2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate
SMILESCC(C)COC(=O)N1c2ccccc2C=CC1O
InChIInChI=1S/C14H17NO3/c1-10(2)9-18-14(17)15-12-6-4-3-5-11(12)7-8-13(15)16/h3-8,10,13,16H,9H2,1-2H3
InChIKeyNSEOVBFVQOKGFS-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.63
Rot. Bonds2

About 2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate

2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate (PubChem CID 141096762) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate
PubChem CID141096762
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate
SMILESCC(C)COC(=O)N1c2ccccc2C=CC1O
InChIInChI=1S/C14H17NO3/c1-10(2)9-18-14(17)15-12-6-4-3-5-11(12)7-8-13(15)16/h3-8,10,13,16H,9H2,1-2H3
InChIKeyNSEOVBFVQOKGFS-UHFFFAOYSA-N
XLogP2.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-hydroxy-2H-quinoline-1-carboxylate
CID 19849647
tert-butyl 2-[2-methyl-1-(2-methylpropoxy)propyl]-2H-quinoline-1-carboxylate
CID 174383459
ethyl 2-(3-oxopropyl)-2H-quinoline-1-carboxylate
CID 10777673
ethyl 2-(1-ethoxy-1,3-dioxobutan-2-yl)-2H-quinoline-1-carboxylate
CID 101357710
diethyl 2-(1-ethoxycarbonyl-2H-quinolin-2-yl)-2-methylpropanedioate
CID 101357708
ethyl 2-prop-2-ynyl-2H-quinoline-1-carboxylate
CID 11264981
2-methylpropyl phenothiazine-10-carboxylate
CID 139765578
2-(1-methoxycarbonyl-2H-quinolin-2-yl)-2-trimethylsilylacetic acid
CID 11493461
2-methylpropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3-dihydroindole-1-carboxylate
CID 19761425
2-methylpropyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate
CID 108567740
ethyl (2R)-6-methyl-2-(4-methylphenyl)-2H-quinoline-1-carboxylate
CID 102220944
(E)-4-(1-methoxycarbonyl-2H-quinolin-2-yl)-3-methylbut-2-enoic acid
CID 11687850

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate?
The IUPAC name of 2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate (CID 141096762) is 2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate?
The canonical SMILES for 2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate is CC(C)COC(=O)N1c2ccccc2C=CC1O.
What is the InChIKey of 2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate?
The InChIKey is NSEOVBFVQOKGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(2)9-18-14(17)15-12-6-4-3-5-11(12)7-8-13(15)16/h3-8,10,13,16H,9H2,1-2H3.
What are the key properties of 2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate?
2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate is sourced from PubChem (CID 141096762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).